USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 899 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0.219 USER MOD Set 1.2: A 21 SER OG : rot 92:sc= 0.236 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.184 (180deg=-0.443) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 0.938 (180deg=0.855) USER MOD Single : A 7 THR OG1 : rot 37:sc= 0.545 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.058) USER MOD Single : A 13 TYR OH : rot 155:sc= 0.902 USER MOD Single : A 17 ASN : amide:sc= 0.419 X(o=0.42,f=-0.053) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0123) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -19:sc= -2.76! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.16 K(o=-1.2,f=-8.1!) USER MOD Single : A 52 GLN : amide:sc=-0.00793 K(o=-0.0079,f=-0.95) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= -0.0322 (180deg=-0.262) USER MOD Single : A 62 THR OG1 : rot -110:sc= 0 USER MOD Single : A 64 THR OG1 : rot 113:sc= 1.19 USER MOD Single : A 67 LYS NZ :NH3+ -103:sc= -0.259 (180deg=-1.61) USER MOD Single : A 81 SER OG : rot -84:sc= 0.198 USER MOD Single : A 82 ASN : amide:sc= -0.814 K(o=-0.81,f=-9!) USER MOD Single : A 85 LYS NZ :NH3+ -172:sc=-0.00345 (180deg=-0.0911) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0251) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.016 -8.543 -20.303 1.00 0.00 N ATOM 2 CA MET A 1 3.955 -7.625 -20.797 1.00 0.00 C ATOM 3 C MET A 1 2.583 -8.287 -20.710 1.00 0.00 C ATOM 4 O MET A 1 1.559 -7.659 -20.975 1.00 0.00 O ATOM 5 CB MET A 1 4.241 -7.213 -22.242 1.00 0.00 C ATOM 6 CG MET A 1 5.568 -6.492 -22.421 1.00 0.00 C ATOM 7 SD MET A 1 5.907 -6.078 -24.143 1.00 0.00 S ATOM 8 CE MET A 1 7.563 -5.407 -24.011 1.00 0.00 C ATOM 0 H1 MET A 1 5.903 -8.014 -20.178 1.00 0.00 H new ATOM 0 H2 MET A 1 4.725 -8.951 -19.392 1.00 0.00 H new ATOM 0 H3 MET A 1 5.163 -9.307 -20.993 1.00 0.00 H new ATOM 0 HA MET A 1 3.954 -6.737 -20.166 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.233 -8.102 -22.872 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.436 -6.567 -22.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.564 -5.579 -21.826 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.373 -7.119 -22.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.913 -5.105 -24.998 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.553 -4.541 -23.349 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.232 -6.166 -23.606 1.00 0.00 H new ATOM 20 N ALA A 2 2.580 -9.562 -20.341 1.00 0.00 N ATOM 21 CA ALA A 2 1.339 -10.319 -20.214 1.00 0.00 C ATOM 22 C ALA A 2 0.681 -10.067 -18.859 1.00 0.00 C ATOM 23 O ALA A 2 1.289 -10.308 -17.814 1.00 0.00 O ATOM 24 CB ALA A 2 1.605 -11.806 -20.406 1.00 0.00 C ATOM 0 H ALA A 2 3.423 -10.094 -20.124 1.00 0.00 H new ATOM 0 HA ALA A 2 0.654 -9.981 -20.991 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.670 -12.358 -20.309 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.025 -11.975 -21.397 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.310 -12.150 -19.650 1.00 0.00 H new ATOM 30 N PRO A 3 -0.570 -9.568 -18.860 1.00 0.00 N ATOM 31 CA PRO A 3 -1.309 -9.282 -17.624 1.00 0.00 C ATOM 32 C PRO A 3 -1.751 -10.544 -16.890 1.00 0.00 C ATOM 33 O PRO A 3 -1.965 -11.593 -17.500 1.00 0.00 O ATOM 34 CB PRO A 3 -2.516 -8.487 -18.112 1.00 0.00 C ATOM 35 CG PRO A 3 -2.729 -8.966 -19.500 1.00 0.00 C ATOM 36 CD PRO A 3 -1.358 -9.231 -20.059 1.00 0.00 C ATOM 0 HA PRO A 3 -0.694 -8.749 -16.899 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.392 -8.669 -17.489 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.324 -7.414 -18.086 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.337 -9.870 -19.512 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -3.256 -8.219 -20.094 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -1.367 -10.049 -20.779 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.956 -8.358 -20.574 1.00 0.00 H new ATOM 44 N LEU A 4 -1.893 -10.429 -15.576 1.00 0.00 N ATOM 45 CA LEU A 4 -2.305 -11.556 -14.749 1.00 0.00 C ATOM 46 C LEU A 4 -3.665 -11.284 -14.117 1.00 0.00 C ATOM 47 O LEU A 4 -4.021 -10.132 -13.873 1.00 0.00 O ATOM 48 CB LEU A 4 -1.263 -11.822 -13.659 1.00 0.00 C ATOM 49 CG LEU A 4 0.163 -12.060 -14.164 1.00 0.00 C ATOM 50 CD1 LEU A 4 1.113 -12.291 -12.999 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.204 -13.232 -15.132 1.00 0.00 C ATOM 0 H LEU A 4 -1.729 -9.565 -15.059 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.385 -12.439 -15.383 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.252 -10.974 -12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.577 -12.692 -13.083 1.00 0.00 H new ATOM 0 HG LEU A 4 0.488 -11.167 -14.698 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.121 -12.458 -13.379 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.111 -11.416 -12.349 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.789 -13.165 -12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.227 -13.383 -15.478 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.145 -14.133 -14.627 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.440 -13.022 -15.986 1.00 0.00 H new ATOM 63 N ARG A 5 -4.424 -12.348 -13.865 1.00 0.00 N ATOM 64 CA ARG A 5 -5.750 -12.231 -13.259 1.00 0.00 C ATOM 65 C ARG A 5 -5.671 -11.626 -11.857 1.00 0.00 C ATOM 66 O ARG A 5 -6.532 -10.843 -11.459 1.00 0.00 O ATOM 67 CB ARG A 5 -6.440 -13.599 -13.192 1.00 0.00 C ATOM 68 CG ARG A 5 -7.079 -14.044 -14.503 1.00 0.00 C ATOM 69 CD ARG A 5 -6.040 -14.388 -15.560 1.00 0.00 C ATOM 70 NE ARG A 5 -6.653 -14.774 -16.830 1.00 0.00 N ATOM 71 CZ ARG A 5 -7.055 -13.905 -17.756 1.00 0.00 C ATOM 72 NH1 ARG A 5 -6.896 -12.602 -17.562 1.00 0.00 N ATOM 73 NH2 ARG A 5 -7.609 -14.343 -18.878 1.00 0.00 N ATOM 0 H ARG A 5 -4.142 -13.306 -14.072 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.338 -11.565 -13.891 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.709 -14.347 -12.885 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -7.208 -13.568 -12.419 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.711 -14.913 -14.321 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.727 -13.251 -14.877 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.388 -13.529 -15.719 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.412 -15.203 -15.199 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.780 -15.768 -17.018 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.465 -12.263 -16.702 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.205 -11.939 -18.273 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.727 -15.344 -19.031 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.917 -13.679 -19.588 1.00 0.00 H new ATOM 87 N LYS A 6 -4.641 -12.017 -11.107 1.00 0.00 N ATOM 88 CA LYS A 6 -4.440 -11.524 -9.743 1.00 0.00 C ATOM 89 C LYS A 6 -4.198 -10.020 -9.710 1.00 0.00 C ATOM 90 O LYS A 6 -4.663 -9.328 -8.804 1.00 0.00 O ATOM 91 CB LYS A 6 -3.268 -12.253 -9.077 1.00 0.00 C ATOM 92 CG LYS A 6 -3.533 -13.728 -8.808 1.00 0.00 C ATOM 93 CD LYS A 6 -4.626 -13.925 -7.768 1.00 0.00 C ATOM 94 CE LYS A 6 -4.757 -15.387 -7.367 1.00 0.00 C ATOM 95 NZ LYS A 6 -5.149 -16.246 -8.518 1.00 0.00 N ATOM 0 H LYS A 6 -3.930 -12.677 -11.422 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.356 -11.728 -9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.387 -12.162 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.033 -11.758 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.822 -14.221 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.615 -14.206 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.404 -13.323 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.576 -13.569 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.809 -15.738 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.500 -15.481 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.392 -17.197 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.973 -15.830 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.356 -16.312 -9.188 1.00 0.00 H new ATOM 109 N THR A 7 -3.460 -9.521 -10.689 1.00 0.00 N ATOM 110 CA THR A 7 -3.157 -8.098 -10.758 1.00 0.00 C ATOM 111 C THR A 7 -4.349 -7.292 -11.254 1.00 0.00 C ATOM 112 O THR A 7 -4.894 -7.549 -12.327 1.00 0.00 O ATOM 113 CB THR A 7 -1.951 -7.811 -11.673 1.00 0.00 C ATOM 114 OG1 THR A 7 -1.935 -8.731 -12.771 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.643 -7.904 -10.905 1.00 0.00 C ATOM 0 H THR A 7 -3.060 -10.077 -11.445 1.00 0.00 H new ATOM 0 HA THR A 7 -2.914 -7.793 -9.740 1.00 0.00 H new ATOM 0 HB THR A 7 -2.053 -6.795 -12.053 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.854 -8.913 -13.059 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.189 -7.697 -11.578 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.645 -7.176 -10.094 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.534 -8.907 -10.492 1.00 0.00 H new ATOM 123 N ALA A 8 -4.741 -6.310 -10.458 1.00 0.00 N ATOM 124 CA ALA A 8 -5.855 -5.438 -10.796 1.00 0.00 C ATOM 125 C ALA A 8 -5.362 -4.198 -11.529 1.00 0.00 C ATOM 126 O ALA A 8 -4.222 -3.771 -11.343 1.00 0.00 O ATOM 127 CB ALA A 8 -6.622 -5.062 -9.545 1.00 0.00 C ATOM 0 H ALA A 8 -4.299 -6.095 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.530 -5.974 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.453 -4.409 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.007 -5.964 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.959 -4.542 -8.854 1.00 0.00 H new ATOM 133 N VAL A 9 -6.223 -3.616 -12.351 1.00 0.00 N ATOM 134 CA VAL A 9 -5.852 -2.444 -13.128 1.00 0.00 C ATOM 135 C VAL A 9 -6.632 -1.206 -12.692 1.00 0.00 C ATOM 136 O VAL A 9 -7.865 -1.215 -12.637 1.00 0.00 O ATOM 137 CB VAL A 9 -6.086 -2.673 -14.641 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.715 -1.428 -15.448 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.292 -3.875 -15.129 1.00 0.00 C ATOM 0 H VAL A 9 -7.181 -3.936 -12.497 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.790 -2.278 -12.946 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.147 -2.872 -14.790 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.889 -1.616 -16.507 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.328 -0.588 -15.123 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.663 -1.192 -15.289 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.469 -4.020 -16.195 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.229 -3.703 -14.958 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.607 -4.765 -14.584 1.00 0.00 H new ATOM 149 N LEU A 10 -5.900 -0.148 -12.395 1.00 0.00 N ATOM 150 CA LEU A 10 -6.496 1.121 -12.004 1.00 0.00 C ATOM 151 C LEU A 10 -6.212 2.136 -13.093 1.00 0.00 C ATOM 152 O LEU A 10 -5.077 2.242 -13.558 1.00 0.00 O ATOM 153 CB LEU A 10 -5.920 1.635 -10.680 1.00 0.00 C ATOM 154 CG LEU A 10 -6.648 1.211 -9.399 1.00 0.00 C ATOM 155 CD1 LEU A 10 -5.807 1.565 -8.186 1.00 0.00 C ATOM 156 CD2 LEU A 10 -8.013 1.885 -9.298 1.00 0.00 C ATOM 0 H LEU A 10 -4.880 -0.141 -12.417 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.567 0.974 -11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.884 1.303 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.903 2.724 -10.717 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.800 0.132 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.330 1.261 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.850 1.047 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.637 2.641 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.509 1.567 -8.381 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.884 2.967 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.623 1.602 -10.156 1.00 0.00 H new ATOM 168 N LYS A 11 -7.217 2.891 -13.499 1.00 0.00 N ATOM 169 CA LYS A 11 -7.015 3.892 -14.529 1.00 0.00 C ATOM 170 C LYS A 11 -7.202 5.281 -13.950 1.00 0.00 C ATOM 171 O LYS A 11 -8.214 5.572 -13.307 1.00 0.00 O ATOM 172 CB LYS A 11 -7.957 3.687 -15.722 1.00 0.00 C ATOM 173 CG LYS A 11 -7.630 2.463 -16.562 1.00 0.00 C ATOM 174 CD LYS A 11 -8.572 2.339 -17.749 1.00 0.00 C ATOM 175 CE LYS A 11 -8.226 1.137 -18.614 1.00 0.00 C ATOM 176 NZ LYS A 11 -9.145 1.006 -19.778 1.00 0.00 N ATOM 0 H LYS A 11 -8.169 2.832 -13.137 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.994 3.785 -14.895 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.979 3.601 -15.354 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.921 4.572 -16.357 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.601 2.527 -16.917 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.699 1.567 -15.945 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.598 2.248 -17.392 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.523 3.247 -18.350 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.200 1.230 -18.970 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.273 0.230 -18.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.987 0.090 -20.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.130 1.062 -19.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.961 1.775 -20.454 1.00 0.00 H new ATOM 190 N LEU A 12 -6.211 6.128 -14.165 1.00 0.00 N ATOM 191 CA LEU A 12 -6.256 7.492 -13.680 1.00 0.00 C ATOM 192 C LEU A 12 -6.509 8.428 -14.844 1.00 0.00 C ATOM 193 O LEU A 12 -5.730 8.448 -15.798 1.00 0.00 O ATOM 194 CB LEU A 12 -4.931 7.866 -13.008 1.00 0.00 C ATOM 195 CG LEU A 12 -5.039 8.354 -11.561 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.655 8.646 -11.000 1.00 0.00 C ATOM 197 CD2 LEU A 12 -5.921 9.591 -11.472 1.00 0.00 C ATOM 0 H LEU A 12 -5.361 5.891 -14.676 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.059 7.580 -12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.274 6.997 -13.031 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.451 8.645 -13.600 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.499 7.566 -10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.745 8.992 -9.970 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.053 7.738 -11.026 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.174 9.417 -11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.983 9.920 -10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.493 10.388 -12.080 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.920 9.353 -11.837 1.00 0.00 H new ATOM 209 N TYR A 13 -7.573 9.202 -14.788 1.00 0.00 N ATOM 210 CA TYR A 13 -7.875 10.124 -15.863 1.00 0.00 C ATOM 211 C TYR A 13 -7.392 11.507 -15.462 1.00 0.00 C ATOM 212 O TYR A 13 -7.874 12.075 -14.483 1.00 0.00 O ATOM 213 CB TYR A 13 -9.381 10.135 -16.123 1.00 0.00 C ATOM 214 CG TYR A 13 -9.924 8.780 -16.530 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.441 7.904 -15.582 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.911 8.373 -17.858 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.930 6.664 -15.946 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.400 7.134 -18.231 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.907 6.284 -17.270 1.00 0.00 C ATOM 220 OH TYR A 13 -11.392 5.048 -17.635 1.00 0.00 O ATOM 0 H TYR A 13 -8.239 9.212 -14.015 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.372 9.816 -16.780 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.897 10.471 -15.223 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.603 10.859 -16.907 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.461 8.198 -14.543 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.512 9.035 -18.612 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.328 5.996 -15.196 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.385 6.834 -19.268 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.674 5.071 -18.573 1.00 0.00 H new ATOM 230 N VAL A 14 -6.446 12.047 -16.212 1.00 0.00 N ATOM 231 CA VAL A 14 -5.882 13.349 -15.901 1.00 0.00 C ATOM 232 C VAL A 14 -5.947 14.285 -17.095 1.00 0.00 C ATOM 233 O VAL A 14 -6.084 13.847 -18.241 1.00 0.00 O ATOM 234 CB VAL A 14 -4.412 13.230 -15.435 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.328 12.478 -14.111 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.557 12.547 -16.495 1.00 0.00 C ATOM 0 H VAL A 14 -6.052 11.603 -17.042 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.483 13.762 -15.091 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.023 14.237 -15.285 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.286 12.405 -13.800 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.897 13.014 -13.351 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.741 11.477 -14.234 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.528 12.476 -16.142 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.945 11.546 -16.686 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.585 13.129 -17.416 1.00 0.00 H new ATOM 246 N ALA A 15 -5.840 15.574 -16.819 1.00 0.00 N ATOM 247 CA ALA A 15 -5.882 16.576 -17.866 1.00 0.00 C ATOM 248 C ALA A 15 -4.562 17.327 -17.909 1.00 0.00 C ATOM 249 O ALA A 15 -4.294 18.181 -17.059 1.00 0.00 O ATOM 250 CB ALA A 15 -7.044 17.537 -17.651 1.00 0.00 C ATOM 0 H ALA A 15 -5.723 15.949 -15.878 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.037 16.078 -18.823 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.055 18.279 -18.449 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.982 16.982 -17.660 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.928 18.039 -16.690 1.00 0.00 H new ATOM 256 N GLY A 16 -3.742 17.008 -18.910 1.00 0.00 N ATOM 257 CA GLY A 16 -2.449 17.651 -19.049 1.00 0.00 C ATOM 258 C GLY A 16 -1.550 17.392 -17.858 1.00 0.00 C ATOM 259 O GLY A 16 -1.360 16.245 -17.453 1.00 0.00 O ATOM 0 H GLY A 16 -3.953 16.314 -19.627 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.962 17.291 -19.955 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.590 18.725 -19.169 1.00 0.00 H new ATOM 263 N ASN A 17 -0.989 18.453 -17.300 1.00 0.00 N ATOM 264 CA ASN A 17 -0.111 18.325 -16.145 1.00 0.00 C ATOM 265 C ASN A 17 -0.430 19.383 -15.102 1.00 0.00 C ATOM 266 O ASN A 17 0.449 20.125 -14.661 1.00 0.00 O ATOM 267 CB ASN A 17 1.356 18.421 -16.569 1.00 0.00 C ATOM 268 CG ASN A 17 2.113 17.126 -16.338 1.00 0.00 C ATOM 269 OD1 ASN A 17 3.235 17.133 -15.839 1.00 0.00 O ATOM 270 ND2 ASN A 17 1.500 16.005 -16.701 1.00 0.00 N ATOM 0 H ASN A 17 -1.125 19.410 -17.626 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.280 17.344 -15.701 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.409 18.686 -17.625 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.840 19.225 -16.014 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.962 15.105 -16.569 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.567 16.044 -17.112 1.00 0.00 H new ATOM 277 N THR A 18 -1.700 19.461 -14.724 1.00 0.00 N ATOM 278 CA THR A 18 -2.133 20.413 -13.714 1.00 0.00 C ATOM 279 C THR A 18 -1.680 19.938 -12.342 1.00 0.00 C ATOM 280 O THR A 18 -1.426 18.748 -12.155 1.00 0.00 O ATOM 281 CB THR A 18 -3.667 20.590 -13.718 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.312 19.346 -13.415 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.150 21.103 -15.063 1.00 0.00 C ATOM 0 H THR A 18 -2.446 18.877 -15.102 1.00 0.00 H new ATOM 0 HA THR A 18 -1.683 21.378 -13.946 1.00 0.00 H new ATOM 0 HB THR A 18 -3.923 21.323 -12.953 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.284 19.472 -13.419 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.234 21.219 -15.040 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.686 22.067 -15.273 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.878 20.392 -15.843 1.00 0.00 H new ATOM 291 N PRO A 19 -1.565 20.851 -11.363 1.00 0.00 N ATOM 292 CA PRO A 19 -1.135 20.491 -10.006 1.00 0.00 C ATOM 293 C PRO A 19 -1.983 19.379 -9.398 1.00 0.00 C ATOM 294 O PRO A 19 -1.462 18.524 -8.690 1.00 0.00 O ATOM 295 CB PRO A 19 -1.292 21.804 -9.231 1.00 0.00 C ATOM 296 CG PRO A 19 -1.124 22.856 -10.272 1.00 0.00 C ATOM 297 CD PRO A 19 -1.790 22.308 -11.499 1.00 0.00 C ATOM 0 HA PRO A 19 -0.120 20.094 -9.985 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.268 21.870 -8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.542 21.896 -8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.583 23.794 -9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.070 23.063 -10.456 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.852 22.554 -11.528 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.346 22.704 -12.413 1.00 0.00 H new ATOM 305 N ASN A 20 -3.285 19.386 -9.679 1.00 0.00 N ATOM 306 CA ASN A 20 -4.175 18.348 -9.154 1.00 0.00 C ATOM 307 C ASN A 20 -3.809 16.988 -9.749 1.00 0.00 C ATOM 308 O ASN A 20 -3.715 15.990 -9.036 1.00 0.00 O ATOM 309 CB ASN A 20 -5.647 18.662 -9.467 1.00 0.00 C ATOM 310 CG ASN A 20 -6.118 19.951 -8.822 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.464 20.909 -9.511 1.00 0.00 O ATOM 312 ND2 ASN A 20 -6.139 19.982 -7.495 1.00 0.00 N ATOM 0 H ASN A 20 -3.744 20.088 -10.259 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.049 18.321 -8.072 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.778 18.731 -10.547 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.272 17.838 -9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.451 20.823 -7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.843 19.165 -6.961 1.00 0.00 H new ATOM 319 N SER A 21 -3.608 16.967 -11.072 1.00 0.00 N ATOM 320 CA SER A 21 -3.230 15.751 -11.791 1.00 0.00 C ATOM 321 C SER A 21 -1.840 15.280 -11.385 1.00 0.00 C ATOM 322 O SER A 21 -1.630 14.087 -11.169 1.00 0.00 O ATOM 323 CB SER A 21 -3.269 16.001 -13.300 1.00 0.00 C ATOM 324 OG SER A 21 -4.585 16.300 -13.738 1.00 0.00 O ATOM 0 H SER A 21 -3.703 17.789 -11.669 1.00 0.00 H new ATOM 0 HA SER A 21 -3.946 14.971 -11.532 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.603 16.826 -13.552 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.899 15.121 -13.826 1.00 0.00 H new ATOM 0 HG SER A 21 -4.720 17.271 -13.728 1.00 0.00 H new ATOM 330 N VAL A 22 -0.899 16.209 -11.282 1.00 0.00 N ATOM 331 CA VAL A 22 0.463 15.869 -10.887 1.00 0.00 C ATOM 332 C VAL A 22 0.492 15.341 -9.454 1.00 0.00 C ATOM 333 O VAL A 22 1.140 14.332 -9.165 1.00 0.00 O ATOM 334 CB VAL A 22 1.412 17.079 -11.027 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.757 16.802 -10.376 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.591 17.451 -12.490 1.00 0.00 C ATOM 0 H VAL A 22 -1.052 17.201 -11.466 1.00 0.00 H new ATOM 0 HA VAL A 22 0.813 15.086 -11.560 1.00 0.00 H new ATOM 0 HB VAL A 22 0.958 17.923 -10.508 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.403 17.672 -10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.612 16.595 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.222 15.939 -10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.263 18.306 -12.569 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.015 16.605 -13.031 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.624 17.709 -12.921 1.00 0.00 H new ATOM 346 N ARG A 23 -0.232 16.021 -8.574 1.00 0.00 N ATOM 347 CA ARG A 23 -0.304 15.645 -7.170 1.00 0.00 C ATOM 348 C ARG A 23 -0.911 14.262 -7.017 1.00 0.00 C ATOM 349 O ARG A 23 -0.381 13.409 -6.302 1.00 0.00 O ATOM 350 CB ARG A 23 -1.188 16.642 -6.437 1.00 0.00 C ATOM 351 CG ARG A 23 -0.866 16.810 -4.966 1.00 0.00 C ATOM 352 CD ARG A 23 -0.058 18.073 -4.730 1.00 0.00 C ATOM 353 NE ARG A 23 0.209 18.301 -3.310 1.00 0.00 N ATOM 354 CZ ARG A 23 -0.581 19.017 -2.512 1.00 0.00 C ATOM 355 NH1 ARG A 23 -1.680 19.583 -2.994 1.00 0.00 N ATOM 356 NH2 ARG A 23 -0.266 19.168 -1.233 1.00 0.00 N ATOM 0 H ARG A 23 -0.783 16.845 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 23 0.705 15.642 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.103 17.612 -6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.227 16.326 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.790 16.852 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.307 15.944 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.887 18.004 -5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.596 18.928 -5.139 1.00 0.00 H new ATOM 0 HE ARG A 23 1.050 17.887 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.922 19.470 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.283 20.131 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.580 18.736 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.870 19.716 -0.620 1.00 0.00 H new ATOM 370 N ALA A 24 -2.035 14.054 -7.699 1.00 0.00 N ATOM 371 CA ALA A 24 -2.738 12.778 -7.644 1.00 0.00 C ATOM 372 C ALA A 24 -1.881 11.650 -8.209 1.00 0.00 C ATOM 373 O ALA A 24 -1.833 10.550 -7.655 1.00 0.00 O ATOM 374 CB ALA A 24 -4.054 12.864 -8.399 1.00 0.00 C ATOM 0 H ALA A 24 -2.477 14.753 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.944 12.556 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.566 11.903 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.681 13.634 -7.950 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.860 13.117 -9.441 1.00 0.00 H new ATOM 380 N LEU A 25 -1.208 11.941 -9.322 1.00 0.00 N ATOM 381 CA LEU A 25 -0.342 10.972 -9.988 1.00 0.00 C ATOM 382 C LEU A 25 0.805 10.536 -9.076 1.00 0.00 C ATOM 383 O LEU A 25 1.072 9.342 -8.945 1.00 0.00 O ATOM 384 CB LEU A 25 0.205 11.568 -11.291 1.00 0.00 C ATOM 385 CG LEU A 25 1.162 10.674 -12.080 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.477 9.382 -12.501 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.693 11.416 -13.300 1.00 0.00 C ATOM 0 H LEU A 25 -1.248 12.850 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.935 10.088 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.638 11.823 -11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.719 12.500 -11.055 1.00 0.00 H new ATOM 0 HG LEU A 25 2.001 10.417 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.179 8.764 -13.061 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.144 8.842 -11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.383 9.614 -13.129 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.373 10.768 -13.853 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.861 11.701 -13.943 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.226 12.311 -12.978 1.00 0.00 H new ATOM 399 N LYS A 26 1.472 11.500 -8.444 1.00 0.00 N ATOM 400 CA LYS A 26 2.581 11.187 -7.544 1.00 0.00 C ATOM 401 C LYS A 26 2.095 10.391 -6.335 1.00 0.00 C ATOM 402 O LYS A 26 2.755 9.451 -5.892 1.00 0.00 O ATOM 403 CB LYS A 26 3.270 12.467 -7.063 1.00 0.00 C ATOM 404 CG LYS A 26 4.058 13.188 -8.147 1.00 0.00 C ATOM 405 CD LYS A 26 4.897 14.320 -7.569 1.00 0.00 C ATOM 406 CE LYS A 26 4.029 15.455 -7.049 1.00 0.00 C ATOM 407 NZ LYS A 26 4.847 16.592 -6.543 1.00 0.00 N ATOM 0 H LYS A 26 1.267 12.495 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 26 3.296 10.584 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.516 13.145 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.943 12.219 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.707 12.478 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.371 13.587 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.517 13.936 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.572 14.700 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.374 15.806 -7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.388 15.085 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.218 17.345 -6.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.454 16.264 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.440 16.962 -7.313 1.00 0.00 H new ATOM 421 N THR A 27 0.933 10.777 -5.815 1.00 0.00 N ATOM 422 CA THR A 27 0.339 10.126 -4.653 1.00 0.00 C ATOM 423 C THR A 27 -0.053 8.676 -4.945 1.00 0.00 C ATOM 424 O THR A 27 0.245 7.777 -4.159 1.00 0.00 O ATOM 425 CB THR A 27 -0.904 10.915 -4.190 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.526 12.256 -3.852 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.564 10.270 -2.986 1.00 0.00 C ATOM 0 H THR A 27 0.378 11.548 -6.187 1.00 0.00 H new ATOM 0 HA THR A 27 1.090 10.115 -3.863 1.00 0.00 H new ATOM 0 HB THR A 27 -1.619 10.916 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.499 12.803 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.435 10.856 -2.691 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.877 9.258 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.855 10.233 -2.159 1.00 0.00 H new ATOM 435 N LEU A 28 -0.697 8.446 -6.087 1.00 0.00 N ATOM 436 CA LEU A 28 -1.140 7.103 -6.448 1.00 0.00 C ATOM 437 C LEU A 28 0.010 6.199 -6.874 1.00 0.00 C ATOM 438 O LEU A 28 0.095 5.051 -6.435 1.00 0.00 O ATOM 439 CB LEU A 28 -2.187 7.162 -7.562 1.00 0.00 C ATOM 440 CG LEU A 28 -3.570 6.630 -7.173 1.00 0.00 C ATOM 441 CD1 LEU A 28 -4.666 7.486 -7.782 1.00 0.00 C ATOM 442 CD2 LEU A 28 -3.721 5.176 -7.593 1.00 0.00 C ATOM 0 H LEU A 28 -0.922 9.166 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.582 6.671 -5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.290 8.196 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.821 6.592 -8.416 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.665 6.682 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.640 7.090 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.569 8.511 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.577 7.473 -8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.710 4.816 -7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.603 5.095 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.959 4.573 -7.099 1.00 0.00 H new ATOM 454 N ALA A 29 0.899 6.716 -7.725 1.00 0.00 N ATOM 455 CA ALA A 29 2.022 5.929 -8.226 1.00 0.00 C ATOM 456 C ALA A 29 2.954 5.463 -7.112 1.00 0.00 C ATOM 457 O ALA A 29 3.357 4.308 -7.095 1.00 0.00 O ATOM 458 CB ALA A 29 2.802 6.723 -9.264 1.00 0.00 C ATOM 0 H ALA A 29 0.861 7.672 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 29 1.603 5.036 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.636 6.124 -9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.146 6.976 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.183 7.638 -8.811 1.00 0.00 H new ATOM 464 N ASN A 30 3.269 6.348 -6.170 1.00 0.00 N ATOM 465 CA ASN A 30 4.165 5.992 -5.067 1.00 0.00 C ATOM 466 C ASN A 30 3.550 4.903 -4.191 1.00 0.00 C ATOM 467 O ASN A 30 4.234 3.954 -3.799 1.00 0.00 O ATOM 468 CB ASN A 30 4.498 7.225 -4.220 1.00 0.00 C ATOM 469 CG ASN A 30 5.642 6.975 -3.254 1.00 0.00 C ATOM 470 OD1 ASN A 30 6.626 6.323 -3.596 1.00 0.00 O ATOM 471 ND2 ASN A 30 5.517 7.495 -2.040 1.00 0.00 N ATOM 0 H ASN A 30 2.923 7.307 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 30 5.088 5.605 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.757 8.055 -4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.613 7.527 -3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.255 7.360 -1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.683 8.030 -1.798 1.00 0.00 H new ATOM 478 N ILE A 31 2.264 5.037 -3.897 1.00 0.00 N ATOM 479 CA ILE A 31 1.568 4.046 -3.088 1.00 0.00 C ATOM 480 C ILE A 31 1.544 2.686 -3.777 1.00 0.00 C ATOM 481 O ILE A 31 1.818 1.658 -3.164 1.00 0.00 O ATOM 482 CB ILE A 31 0.151 4.520 -2.718 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.266 5.617 -1.666 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.733 3.378 -2.233 1.00 0.00 C ATOM 485 CD1 ILE A 31 -1.024 6.340 -1.403 1.00 0.00 C ATOM 0 H ILE A 31 1.684 5.818 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 31 2.124 3.929 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.333 4.913 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.623 5.178 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.017 6.338 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.722 3.764 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.823 2.628 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.288 2.924 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.864 7.105 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.372 6.809 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.773 5.631 -1.051 1.00 0.00 H new ATOM 497 N LEU A 32 1.218 2.690 -5.056 1.00 0.00 N ATOM 498 CA LEU A 32 1.170 1.461 -5.833 1.00 0.00 C ATOM 499 C LEU A 32 2.561 0.846 -6.032 1.00 0.00 C ATOM 500 O LEU A 32 2.706 -0.371 -6.035 1.00 0.00 O ATOM 501 CB LEU A 32 0.486 1.725 -7.170 1.00 0.00 C ATOM 502 CG LEU A 32 -1.016 2.007 -7.062 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.569 2.479 -8.395 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.742 0.763 -6.599 1.00 0.00 C ATOM 0 H LEU A 32 0.982 3.532 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 32 0.588 0.730 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.970 2.575 -7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.637 0.862 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.171 2.800 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.637 2.674 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.059 3.394 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.408 1.708 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.809 0.971 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.578 -0.042 -7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.362 0.462 -5.623 1.00 0.00 H new ATOM 516 N GLU A 33 3.571 1.689 -6.222 1.00 0.00 N ATOM 517 CA GLU A 33 4.947 1.221 -6.433 1.00 0.00 C ATOM 518 C GLU A 33 5.572 0.592 -5.187 1.00 0.00 C ATOM 519 O GLU A 33 6.333 -0.359 -5.299 1.00 0.00 O ATOM 520 CB GLU A 33 5.848 2.360 -6.921 1.00 0.00 C ATOM 521 CG GLU A 33 5.537 2.824 -8.334 1.00 0.00 C ATOM 522 CD GLU A 33 6.424 3.967 -8.787 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.185 4.500 -7.951 1.00 0.00 O ATOM 524 OE2 GLU A 33 6.358 4.330 -9.980 1.00 0.00 O ATOM 0 H GLU A 33 3.467 2.704 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 33 4.876 0.445 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.750 3.206 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.887 2.034 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.654 1.986 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.494 3.137 -8.387 1.00 0.00 H new ATOM 531 N LYS A 34 5.285 1.135 -4.008 1.00 0.00 N ATOM 532 CA LYS A 34 5.887 0.611 -2.781 1.00 0.00 C ATOM 533 C LYS A 34 4.899 -0.189 -1.932 1.00 0.00 C ATOM 534 O LYS A 34 5.135 -1.360 -1.632 1.00 0.00 O ATOM 535 CB LYS A 34 6.466 1.766 -1.957 1.00 0.00 C ATOM 536 CG LYS A 34 7.361 1.315 -0.810 1.00 0.00 C ATOM 537 CD LYS A 34 8.600 0.599 -1.320 1.00 0.00 C ATOM 538 CE LYS A 34 9.678 0.525 -0.251 1.00 0.00 C ATOM 539 NZ LYS A 34 9.226 -0.239 0.943 1.00 0.00 N ATOM 0 H LYS A 34 4.652 1.923 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 34 6.680 -0.075 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.038 2.419 -2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.645 2.359 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.658 2.180 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.802 0.652 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.334 -0.408 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.989 1.120 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.569 0.055 -0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.961 1.534 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.007 -0.309 1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.422 0.251 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.932 -1.194 0.654 1.00 0.00 H new ATOM 553 N GLU A 35 3.798 0.448 -1.551 1.00 0.00 N ATOM 554 CA GLU A 35 2.780 -0.184 -0.710 1.00 0.00 C ATOM 555 C GLU A 35 2.124 -1.390 -1.379 1.00 0.00 C ATOM 556 O GLU A 35 1.876 -2.404 -0.728 1.00 0.00 O ATOM 557 CB GLU A 35 1.700 0.843 -0.327 1.00 0.00 C ATOM 558 CG GLU A 35 2.113 1.823 0.772 1.00 0.00 C ATOM 559 CD GLU A 35 3.232 2.764 0.369 1.00 0.00 C ATOM 560 OE1 GLU A 35 3.252 3.202 -0.799 1.00 0.00 O ATOM 561 OE2 GLU A 35 4.091 3.064 1.224 1.00 0.00 O ATOM 0 H GLU A 35 3.583 1.410 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 35 3.290 -0.546 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.425 1.410 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.808 0.308 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.244 2.412 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.426 1.258 1.650 1.00 0.00 H new ATOM 568 N PHE A 36 1.843 -1.287 -2.674 1.00 0.00 N ATOM 569 CA PHE A 36 1.182 -2.378 -3.385 1.00 0.00 C ATOM 570 C PHE A 36 1.983 -2.882 -4.585 1.00 0.00 C ATOM 571 O PHE A 36 1.402 -3.311 -5.587 1.00 0.00 O ATOM 572 CB PHE A 36 -0.225 -1.950 -3.805 1.00 0.00 C ATOM 573 CG PHE A 36 -1.105 -1.639 -2.628 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.180 -0.350 -2.126 1.00 0.00 C ATOM 575 CD2 PHE A 36 -1.842 -2.638 -2.015 1.00 0.00 C ATOM 576 CE1 PHE A 36 -1.974 -0.064 -1.034 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.640 -2.356 -0.922 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.705 -1.067 -0.430 1.00 0.00 C ATOM 0 H PHE A 36 2.059 -0.471 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 36 1.114 -3.218 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.158 -1.072 -4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.682 -2.743 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.611 0.440 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.793 -3.648 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.023 0.945 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.212 -3.143 -0.453 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.326 -0.845 0.425 1.00 0.00 H new ATOM 588 N LYS A 37 3.312 -2.802 -4.484 1.00 0.00 N ATOM 589 CA LYS A 37 4.204 -3.259 -5.555 1.00 0.00 C ATOM 590 C LYS A 37 3.861 -4.674 -6.027 1.00 0.00 C ATOM 591 O LYS A 37 3.827 -5.617 -5.233 1.00 0.00 O ATOM 592 CB LYS A 37 5.657 -3.247 -5.064 1.00 0.00 C ATOM 593 CG LYS A 37 6.670 -3.661 -6.126 1.00 0.00 C ATOM 594 CD LYS A 37 8.066 -3.833 -5.544 1.00 0.00 C ATOM 595 CE LYS A 37 8.683 -2.502 -5.145 1.00 0.00 C ATOM 596 NZ LYS A 37 10.074 -2.664 -4.636 1.00 0.00 N ATOM 0 H LYS A 37 3.796 -2.424 -3.670 1.00 0.00 H new ATOM 0 HA LYS A 37 4.074 -2.575 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.903 -2.245 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.747 -3.917 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.351 -4.596 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.696 -2.910 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.018 -4.486 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.706 -4.325 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.687 -1.832 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.068 -2.032 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.459 -1.734 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.068 -3.283 -3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.668 -3.088 -5.377 1.00 0.00 H new ATOM 610 N GLY A 38 3.609 -4.808 -7.326 1.00 0.00 N ATOM 611 CA GLY A 38 3.305 -6.106 -7.905 1.00 0.00 C ATOM 612 C GLY A 38 1.860 -6.543 -7.739 1.00 0.00 C ATOM 613 O GLY A 38 1.497 -7.633 -8.180 1.00 0.00 O ATOM 0 H GLY A 38 3.610 -4.036 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.545 -6.081 -8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.953 -6.855 -7.449 1.00 0.00 H new ATOM 617 N VAL A 39 1.026 -5.716 -7.114 1.00 0.00 N ATOM 618 CA VAL A 39 -0.374 -6.089 -6.924 1.00 0.00 C ATOM 619 C VAL A 39 -1.301 -5.295 -7.846 1.00 0.00 C ATOM 620 O VAL A 39 -2.208 -5.864 -8.458 1.00 0.00 O ATOM 621 CB VAL A 39 -0.826 -5.929 -5.455 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.269 -6.383 -5.276 1.00 0.00 C ATOM 623 CG2 VAL A 39 0.098 -6.699 -4.521 1.00 0.00 C ATOM 0 H VAL A 39 1.286 -4.804 -6.738 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.446 -7.145 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.770 -4.871 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.562 -6.260 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.921 -5.782 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.358 -7.433 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.238 -6.573 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.080 -7.757 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.115 -6.319 -4.620 1.00 0.00 H new ATOM 633 N TYR A 40 -1.081 -3.988 -7.957 1.00 0.00 N ATOM 634 CA TYR A 40 -1.938 -3.173 -8.811 1.00 0.00 C ATOM 635 C TYR A 40 -1.165 -2.555 -9.971 1.00 0.00 C ATOM 636 O TYR A 40 0.001 -2.184 -9.832 1.00 0.00 O ATOM 637 CB TYR A 40 -2.605 -2.053 -8.015 1.00 0.00 C ATOM 638 CG TYR A 40 -4.023 -2.315 -7.571 1.00 0.00 C ATOM 639 CD1 TYR A 40 -4.295 -2.897 -6.341 1.00 0.00 C ATOM 640 CD2 TYR A 40 -5.091 -1.942 -8.374 1.00 0.00 C ATOM 641 CE1 TYR A 40 -5.596 -3.101 -5.925 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.391 -2.146 -7.967 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.639 -2.723 -6.744 1.00 0.00 C ATOM 644 OH TYR A 40 -7.937 -2.926 -6.340 1.00 0.00 O ATOM 0 H TYR A 40 -0.336 -3.481 -7.479 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.699 -3.844 -9.211 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.999 -1.851 -7.131 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.596 -1.147 -8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.478 -3.195 -5.700 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.900 -1.484 -9.333 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.795 -3.553 -4.965 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.212 -1.854 -8.606 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.956 -3.598 -5.627 1.00 0.00 H new ATOM 654 N ALA A 41 -1.833 -2.448 -11.112 1.00 0.00 N ATOM 655 CA ALA A 41 -1.250 -1.834 -12.295 1.00 0.00 C ATOM 656 C ALA A 41 -1.893 -0.466 -12.514 1.00 0.00 C ATOM 657 O ALA A 41 -3.120 -0.361 -12.592 1.00 0.00 O ATOM 658 CB ALA A 41 -1.455 -2.727 -13.510 1.00 0.00 C ATOM 0 H ALA A 41 -2.788 -2.782 -11.242 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.177 -1.707 -12.151 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.014 -2.254 -14.387 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.977 -3.691 -13.338 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.522 -2.876 -13.676 1.00 0.00 H new ATOM 664 N LEU A 42 -1.078 0.579 -12.613 1.00 0.00 N ATOM 665 CA LEU A 42 -1.605 1.929 -12.799 1.00 0.00 C ATOM 666 C LEU A 42 -1.563 2.351 -14.263 1.00 0.00 C ATOM 667 O LEU A 42 -0.511 2.325 -14.904 1.00 0.00 O ATOM 668 CB LEU A 42 -0.822 2.934 -11.943 1.00 0.00 C ATOM 669 CG LEU A 42 -1.295 4.391 -12.037 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.731 4.529 -11.544 1.00 0.00 C ATOM 671 CD2 LEU A 42 -0.373 5.305 -11.246 1.00 0.00 C ATOM 0 H LEU A 42 -0.061 0.521 -12.568 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.647 1.920 -12.479 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.878 2.619 -10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.228 2.892 -12.233 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.263 4.689 -13.085 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.043 5.570 -11.620 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.387 3.908 -12.154 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.791 4.208 -10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.725 6.334 -11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.371 5.002 -10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.639 5.236 -11.646 1.00 0.00 H new ATOM 683 N LYS A 43 -2.721 2.739 -14.783 1.00 0.00 N ATOM 684 CA LYS A 43 -2.843 3.187 -16.163 1.00 0.00 C ATOM 685 C LYS A 43 -3.401 4.608 -16.204 1.00 0.00 C ATOM 686 O LYS A 43 -4.506 4.861 -15.744 1.00 0.00 O ATOM 687 CB LYS A 43 -3.760 2.249 -16.953 1.00 0.00 C ATOM 688 CG LYS A 43 -3.037 1.382 -17.968 1.00 0.00 C ATOM 689 CD LYS A 43 -2.606 0.054 -17.373 1.00 0.00 C ATOM 690 CE LYS A 43 -2.438 -1.001 -18.454 1.00 0.00 C ATOM 691 NZ LYS A 43 -1.242 -0.741 -19.302 1.00 0.00 N ATOM 0 H LYS A 43 -3.598 2.752 -14.262 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.853 3.175 -16.619 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.291 1.604 -16.253 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.512 2.845 -17.471 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.690 1.202 -18.822 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.162 1.914 -18.342 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.666 0.181 -16.835 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.347 -0.280 -16.646 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.348 -1.984 -17.991 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.329 -1.024 -19.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.163 -1.482 -20.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.339 0.186 -19.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.388 -0.744 -18.708 1.00 0.00 H new ATOM 705 N VAL A 44 -2.623 5.528 -16.753 1.00 0.00 N ATOM 706 CA VAL A 44 -3.035 6.925 -16.857 1.00 0.00 C ATOM 707 C VAL A 44 -3.584 7.233 -18.237 1.00 0.00 C ATOM 708 O VAL A 44 -2.982 6.907 -19.263 1.00 0.00 O ATOM 709 CB VAL A 44 -1.869 7.890 -16.513 1.00 0.00 C ATOM 710 CG1 VAL A 44 -0.541 7.345 -17.018 1.00 0.00 C ATOM 711 CG2 VAL A 44 -2.116 9.289 -17.065 1.00 0.00 C ATOM 0 H VAL A 44 -1.698 5.334 -17.136 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.829 7.081 -16.127 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.821 7.964 -15.427 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.258 8.041 -16.763 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.343 6.379 -16.553 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.585 7.224 -18.100 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.279 9.936 -16.804 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.213 9.240 -18.150 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.033 9.692 -16.637 1.00 0.00 H new ATOM 721 N ILE A 45 -4.752 7.861 -18.240 1.00 0.00 N ATOM 722 CA ILE A 45 -5.431 8.231 -19.456 1.00 0.00 C ATOM 723 C ILE A 45 -5.456 9.750 -19.573 1.00 0.00 C ATOM 724 O ILE A 45 -6.204 10.423 -18.858 1.00 0.00 O ATOM 725 CB ILE A 45 -6.883 7.701 -19.431 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.909 6.202 -19.102 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.607 7.977 -20.751 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.163 5.329 -20.089 1.00 0.00 C ATOM 0 H ILE A 45 -5.250 8.126 -17.390 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.905 7.799 -20.307 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.415 8.238 -18.645 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.482 6.053 -18.110 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.947 5.871 -19.056 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.625 7.590 -20.696 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.637 9.051 -20.932 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.076 7.486 -21.567 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.234 4.287 -19.779 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.602 5.443 -21.080 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.115 5.628 -20.120 1.00 0.00 H new ATOM 740 N ASP A 46 -4.620 10.291 -20.448 1.00 0.00 N ATOM 741 CA ASP A 46 -4.582 11.734 -20.657 1.00 0.00 C ATOM 742 C ASP A 46 -5.771 12.145 -21.515 1.00 0.00 C ATOM 743 O ASP A 46 -5.779 11.920 -22.728 1.00 0.00 O ATOM 744 CB ASP A 46 -3.278 12.148 -21.342 1.00 0.00 C ATOM 745 CG ASP A 46 -3.056 13.649 -21.294 1.00 0.00 C ATOM 746 OD1 ASP A 46 -3.843 14.391 -21.917 1.00 0.00 O ATOM 747 OD2 ASP A 46 -2.094 14.082 -20.627 1.00 0.00 O ATOM 0 H ASP A 46 -3.964 9.760 -21.020 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.633 12.234 -19.690 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.441 11.643 -20.860 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.295 11.818 -22.381 1.00 0.00 H new ATOM 752 N VAL A 47 -6.767 12.752 -20.884 1.00 0.00 N ATOM 753 CA VAL A 47 -7.983 13.154 -21.584 1.00 0.00 C ATOM 754 C VAL A 47 -7.773 14.315 -22.571 1.00 0.00 C ATOM 755 O VAL A 47 -8.463 14.388 -23.586 1.00 0.00 O ATOM 756 CB VAL A 47 -9.109 13.512 -20.585 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.405 12.326 -19.674 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.749 14.742 -19.764 1.00 0.00 C ATOM 0 H VAL A 47 -6.759 12.977 -19.889 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.278 12.287 -22.174 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.006 13.746 -21.158 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.199 12.592 -18.976 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.722 11.475 -20.276 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.506 12.062 -19.117 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.560 14.968 -19.072 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.835 14.550 -19.202 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.593 15.591 -20.430 1.00 0.00 H new ATOM 768 N LEU A 48 -6.840 15.223 -22.280 1.00 0.00 N ATOM 769 CA LEU A 48 -6.591 16.358 -23.176 1.00 0.00 C ATOM 770 C LEU A 48 -5.930 15.939 -24.487 1.00 0.00 C ATOM 771 O LEU A 48 -6.266 16.466 -25.548 1.00 0.00 O ATOM 772 CB LEU A 48 -5.754 17.446 -22.495 1.00 0.00 C ATOM 773 CG LEU A 48 -6.473 18.225 -21.391 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.514 19.187 -20.709 1.00 0.00 C ATOM 775 CD2 LEU A 48 -7.668 18.976 -21.957 1.00 0.00 C ATOM 0 H LEU A 48 -6.253 15.199 -21.447 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.573 16.768 -23.414 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.863 16.984 -22.070 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.416 18.151 -23.255 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.835 17.514 -20.649 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.041 19.733 -19.927 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.689 18.627 -20.268 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.123 19.892 -21.443 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.166 19.524 -21.157 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.329 19.677 -22.720 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.367 18.267 -22.401 1.00 0.00 H new ATOM 787 N LYS A 49 -4.985 15.001 -24.420 1.00 0.00 N ATOM 788 CA LYS A 49 -4.297 14.539 -25.624 1.00 0.00 C ATOM 789 C LYS A 49 -5.221 13.704 -26.503 1.00 0.00 C ATOM 790 O LYS A 49 -5.158 13.781 -27.730 1.00 0.00 O ATOM 791 CB LYS A 49 -3.036 13.739 -25.287 1.00 0.00 C ATOM 792 CG LYS A 49 -1.912 14.592 -24.719 1.00 0.00 C ATOM 793 CD LYS A 49 -0.598 13.827 -24.666 1.00 0.00 C ATOM 794 CE LYS A 49 -0.629 12.706 -23.641 1.00 0.00 C ATOM 795 NZ LYS A 49 0.679 12.000 -23.547 1.00 0.00 N ATOM 0 H LYS A 49 -4.682 14.551 -23.556 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.998 15.430 -26.176 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.290 12.961 -24.568 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.682 13.237 -26.188 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.789 15.486 -25.331 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.179 14.926 -23.717 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.381 13.412 -25.650 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.212 14.515 -24.425 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.892 13.114 -22.665 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.408 11.992 -23.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.615 11.243 -22.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.918 11.588 -24.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.419 12.675 -23.267 1.00 0.00 H new ATOM 809 N ASN A 50 -6.076 12.903 -25.877 1.00 0.00 N ATOM 810 CA ASN A 50 -7.005 12.069 -26.628 1.00 0.00 C ATOM 811 C ASN A 50 -8.418 12.255 -26.113 1.00 0.00 C ATOM 812 O ASN A 50 -8.888 11.503 -25.254 1.00 0.00 O ATOM 813 CB ASN A 50 -6.619 10.599 -26.527 1.00 0.00 C ATOM 814 CG ASN A 50 -7.281 9.750 -27.599 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.481 9.856 -27.843 1.00 0.00 O ATOM 816 ND2 ASN A 50 -6.494 8.904 -28.252 1.00 0.00 N ATOM 0 H ASN A 50 -6.145 12.814 -24.863 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.958 12.375 -27.673 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.536 10.504 -26.610 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.898 10.220 -25.544 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.881 8.311 -28.987 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.503 8.846 -28.019 1.00 0.00 H new ATOM 823 N PRO A 51 -9.110 13.271 -26.634 1.00 0.00 N ATOM 824 CA PRO A 51 -10.486 13.582 -26.243 1.00 0.00 C ATOM 825 C PRO A 51 -11.456 12.449 -26.569 1.00 0.00 C ATOM 826 O PRO A 51 -12.477 12.282 -25.901 1.00 0.00 O ATOM 827 CB PRO A 51 -10.813 14.840 -27.061 1.00 0.00 C ATOM 828 CG PRO A 51 -9.481 15.394 -27.440 1.00 0.00 C ATOM 829 CD PRO A 51 -8.611 14.202 -27.657 1.00 0.00 C ATOM 0 HA PRO A 51 -10.583 13.726 -25.167 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.408 14.598 -27.942 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.389 15.556 -26.475 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.549 16.002 -28.342 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.082 16.035 -26.654 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.717 13.797 -28.664 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.556 14.436 -27.516 1.00 0.00 H new ATOM 837 N GLN A 52 -11.126 11.679 -27.604 1.00 0.00 N ATOM 838 CA GLN A 52 -11.956 10.561 -28.035 1.00 0.00 C ATOM 839 C GLN A 52 -12.042 9.505 -26.951 1.00 0.00 C ATOM 840 O GLN A 52 -13.116 8.974 -26.687 1.00 0.00 O ATOM 841 CB GLN A 52 -11.393 9.938 -29.314 1.00 0.00 C ATOM 842 CG GLN A 52 -11.540 10.822 -30.542 1.00 0.00 C ATOM 843 CD GLN A 52 -10.796 10.276 -31.746 1.00 0.00 C ATOM 844 OE1 GLN A 52 -9.779 9.600 -31.608 1.00 0.00 O ATOM 845 NE2 GLN A 52 -11.300 10.568 -32.938 1.00 0.00 N ATOM 0 H GLN A 52 -10.283 11.812 -28.162 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.957 10.944 -28.234 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.337 9.713 -29.164 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.898 8.989 -29.498 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.597 10.923 -30.788 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.169 11.821 -30.313 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.147 11.132 -33.009 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.841 10.228 -33.783 1.00 0.00 H new ATOM 854 N LEU A 53 -10.917 9.223 -26.302 1.00 0.00 N ATOM 855 CA LEU A 53 -10.905 8.222 -25.249 1.00 0.00 C ATOM 856 C LEU A 53 -11.653 8.742 -24.033 1.00 0.00 C ATOM 857 O LEU A 53 -12.335 7.983 -23.338 1.00 0.00 O ATOM 858 CB LEU A 53 -9.484 7.791 -24.882 1.00 0.00 C ATOM 859 CG LEU A 53 -8.743 7.022 -25.978 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.310 6.739 -25.558 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.474 5.728 -26.310 1.00 0.00 C ATOM 0 H LEU A 53 -10.017 9.667 -26.484 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.413 7.333 -25.623 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.905 8.678 -24.626 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.528 7.169 -23.988 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.718 7.640 -26.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.800 6.192 -26.351 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.792 7.680 -25.376 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.309 6.142 -24.646 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.933 5.194 -27.091 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.533 5.104 -25.418 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.481 5.958 -26.659 1.00 0.00 H new ATOM 873 N ALA A 54 -11.519 10.048 -23.775 1.00 0.00 N ATOM 874 CA ALA A 54 -12.202 10.674 -22.653 1.00 0.00 C ATOM 875 C ALA A 54 -13.709 10.603 -22.853 1.00 0.00 C ATOM 876 O ALA A 54 -14.454 10.337 -21.919 1.00 0.00 O ATOM 877 CB ALA A 54 -11.758 12.119 -22.495 1.00 0.00 C ATOM 0 H ALA A 54 -10.945 10.684 -24.329 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.941 10.134 -21.743 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.280 12.570 -21.651 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.683 12.152 -22.317 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.992 12.673 -23.404 1.00 0.00 H new ATOM 883 N GLU A 55 -14.143 10.860 -24.087 1.00 0.00 N ATOM 884 CA GLU A 55 -15.557 10.802 -24.444 1.00 0.00 C ATOM 885 C GLU A 55 -16.071 9.370 -24.368 1.00 0.00 C ATOM 886 O GLU A 55 -17.202 9.133 -23.943 1.00 0.00 O ATOM 887 CB GLU A 55 -15.795 11.369 -25.846 1.00 0.00 C ATOM 888 CG GLU A 55 -17.267 11.408 -26.240 1.00 0.00 C ATOM 889 CD GLU A 55 -17.493 11.995 -27.620 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.499 12.368 -28.279 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.665 12.083 -28.041 1.00 0.00 O ATOM 0 H GLU A 55 -13.528 11.112 -24.861 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.106 11.413 -23.728 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.386 12.378 -25.896 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.248 10.767 -26.571 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.673 10.397 -26.210 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.819 11.995 -25.506 1.00 0.00 H new ATOM 898 N GLU A 56 -15.237 8.420 -24.785 1.00 0.00 N ATOM 899 CA GLU A 56 -15.613 7.010 -24.763 1.00 0.00 C ATOM 900 C GLU A 56 -15.926 6.566 -23.336 1.00 0.00 C ATOM 901 O GLU A 56 -16.869 5.810 -23.109 1.00 0.00 O ATOM 902 CB GLU A 56 -14.491 6.146 -25.352 1.00 0.00 C ATOM 903 CG GLU A 56 -14.295 6.329 -26.853 1.00 0.00 C ATOM 904 CD GLU A 56 -15.535 5.991 -27.657 1.00 0.00 C ATOM 905 OE1 GLU A 56 -16.108 4.903 -27.435 1.00 0.00 O ATOM 906 OE2 GLU A 56 -15.932 6.813 -28.509 1.00 0.00 O ATOM 0 H GLU A 56 -14.299 8.601 -25.141 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.507 6.882 -25.373 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.557 6.383 -24.842 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.708 5.097 -25.149 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.009 7.361 -27.053 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.470 5.699 -27.186 1.00 0.00 H new ATOM 913 N ASP A 57 -15.134 7.035 -22.373 1.00 0.00 N ATOM 914 CA ASP A 57 -15.375 6.697 -20.972 1.00 0.00 C ATOM 915 C ASP A 57 -16.132 7.822 -20.263 1.00 0.00 C ATOM 916 O ASP A 57 -16.290 7.793 -19.042 1.00 0.00 O ATOM 917 CB ASP A 57 -14.069 6.362 -20.235 1.00 0.00 C ATOM 918 CG ASP A 57 -13.477 5.028 -20.649 1.00 0.00 C ATOM 919 OD1 ASP A 57 -14.188 4.236 -21.303 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.298 4.776 -20.316 1.00 0.00 O ATOM 0 H ASP A 57 -14.330 7.642 -22.534 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.997 5.802 -20.953 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.340 7.150 -20.423 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.257 6.352 -19.161 1.00 0.00 H new ATOM 925 N LYS A 58 -16.602 8.799 -21.051 1.00 0.00 N ATOM 926 CA LYS A 58 -17.375 9.943 -20.547 1.00 0.00 C ATOM 927 C LYS A 58 -16.718 10.618 -19.345 1.00 0.00 C ATOM 928 O LYS A 58 -17.343 10.805 -18.298 1.00 0.00 O ATOM 929 CB LYS A 58 -18.806 9.516 -20.221 1.00 0.00 C ATOM 930 CG LYS A 58 -19.659 9.273 -21.460 1.00 0.00 C ATOM 931 CD LYS A 58 -20.258 10.567 -21.987 1.00 0.00 C ATOM 932 CE LYS A 58 -21.128 10.321 -23.210 1.00 0.00 C ATOM 933 NZ LYS A 58 -22.289 9.443 -22.899 1.00 0.00 N ATOM 0 H LYS A 58 -16.456 8.818 -22.060 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.399 10.688 -21.342 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.779 8.605 -19.623 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.277 10.285 -19.609 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.051 8.810 -22.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.458 8.572 -21.221 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.853 11.039 -21.205 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.458 11.262 -22.242 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.488 11.274 -23.597 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.528 9.864 -23.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.977 9.489 -23.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.962 8.463 -22.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.740 9.763 -22.018 1.00 0.00 H new ATOM 947 N ILE A 59 -15.458 10.991 -19.509 1.00 0.00 N ATOM 948 CA ILE A 59 -14.708 11.643 -18.447 1.00 0.00 C ATOM 949 C ILE A 59 -14.914 13.156 -18.494 1.00 0.00 C ATOM 950 O ILE A 59 -14.410 13.836 -19.391 1.00 0.00 O ATOM 951 CB ILE A 59 -13.204 11.322 -18.569 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.990 9.807 -18.600 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.418 11.949 -17.423 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.505 9.097 -17.367 1.00 0.00 C ATOM 0 H ILE A 59 -14.932 10.852 -20.372 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.076 11.264 -17.494 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.836 11.749 -19.502 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.486 9.396 -19.479 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.925 9.601 -18.710 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.361 11.708 -17.532 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.547 13.031 -17.442 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.783 11.557 -16.474 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.319 8.027 -17.459 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.991 9.480 -16.485 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.576 9.272 -17.267 1.00 0.00 H new ATOM 966 N LEU A 60 -15.661 13.676 -17.525 1.00 0.00 N ATOM 967 CA LEU A 60 -15.939 15.108 -17.453 1.00 0.00 C ATOM 968 C LEU A 60 -15.182 15.773 -16.305 1.00 0.00 C ATOM 969 O LEU A 60 -15.319 16.975 -16.079 1.00 0.00 O ATOM 970 CB LEU A 60 -17.443 15.348 -17.293 1.00 0.00 C ATOM 971 CG LEU A 60 -18.319 14.794 -18.422 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.790 15.022 -18.115 1.00 0.00 C ATOM 973 CD2 LEU A 60 -17.947 15.435 -19.753 1.00 0.00 C ATOM 0 H LEU A 60 -16.086 13.127 -16.777 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.597 15.557 -18.385 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.767 14.903 -16.352 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.616 16.421 -17.214 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.144 13.721 -18.497 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.397 14.622 -18.927 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.050 14.517 -17.185 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -19.979 16.091 -18.012 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.580 15.029 -20.542 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.092 16.513 -19.691 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.902 15.222 -19.980 1.00 0.00 H new ATOM 985 N ALA A 61 -14.384 14.993 -15.582 1.00 0.00 N ATOM 986 CA ALA A 61 -13.623 15.521 -14.453 1.00 0.00 C ATOM 987 C ALA A 61 -12.251 14.867 -14.353 1.00 0.00 C ATOM 988 O ALA A 61 -12.080 13.703 -14.715 1.00 0.00 O ATOM 989 CB ALA A 61 -14.396 15.323 -13.156 1.00 0.00 C ATOM 0 H ALA A 61 -14.247 13.997 -15.756 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.475 16.588 -14.620 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.817 15.721 -12.323 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.350 15.846 -13.218 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.575 14.259 -12.998 1.00 0.00 H new ATOM 995 N THR A 62 -11.278 15.627 -13.857 1.00 0.00 N ATOM 996 CA THR A 62 -9.914 15.148 -13.690 1.00 0.00 C ATOM 997 C THR A 62 -9.268 15.803 -12.470 1.00 0.00 C ATOM 998 O THR A 62 -9.495 16.984 -12.205 1.00 0.00 O ATOM 999 CB THR A 62 -9.038 15.473 -14.922 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.103 16.877 -15.207 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.464 14.685 -16.152 1.00 0.00 C ATOM 0 H THR A 62 -11.416 16.593 -13.560 1.00 0.00 H new ATOM 0 HA THR A 62 -9.972 14.067 -13.564 1.00 0.00 H new ATOM 0 HB THR A 62 -8.015 15.185 -14.681 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.602 17.019 -16.038 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.821 14.946 -16.992 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.379 13.618 -15.948 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.498 14.926 -16.398 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.454 15.051 -11.712 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.195 13.636 -11.979 1.00 0.00 C ATOM 1011 C PRO A 63 -9.321 12.730 -11.475 1.00 0.00 C ATOM 1012 O PRO A 63 -10.009 13.047 -10.505 1.00 0.00 O ATOM 1013 CB PRO A 63 -6.904 13.372 -11.211 1.00 0.00 C ATOM 1014 CG PRO A 63 -6.937 14.323 -10.069 1.00 0.00 C ATOM 1015 CD PRO A 63 -7.695 15.539 -10.542 1.00 0.00 C ATOM 0 HA PRO A 63 -8.125 13.424 -13.046 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.855 12.340 -10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.029 13.539 -11.839 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.426 13.874 -9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.927 14.592 -9.760 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.358 15.923 -9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.020 16.350 -10.814 1.00 0.00 H new ATOM 1023 N THR A 64 -9.491 11.601 -12.143 1.00 0.00 N ATOM 1024 CA THR A 64 -10.506 10.623 -11.761 1.00 0.00 C ATOM 1025 C THR A 64 -9.861 9.246 -11.641 1.00 0.00 C ATOM 1026 O THR A 64 -9.122 8.818 -12.529 1.00 0.00 O ATOM 1027 CB THR A 64 -11.679 10.564 -12.764 1.00 0.00 C ATOM 1028 OG1 THR A 64 -12.309 11.846 -12.852 1.00 0.00 O ATOM 1029 CG2 THR A 64 -12.718 9.532 -12.344 1.00 0.00 C ATOM 0 H THR A 64 -8.938 11.335 -12.957 1.00 0.00 H new ATOM 0 HA THR A 64 -10.919 10.936 -10.802 1.00 0.00 H new ATOM 0 HB THR A 64 -11.272 10.276 -13.733 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.156 12.225 -13.743 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.530 9.516 -13.071 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.254 8.547 -12.297 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.115 9.794 -11.363 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.140 8.564 -10.541 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.585 7.242 -10.291 1.00 0.00 C ATOM 1039 C LEU A 65 -10.652 6.170 -10.477 1.00 0.00 C ATOM 1040 O LEU A 65 -11.673 6.187 -9.802 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.035 7.174 -8.862 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.434 5.826 -8.453 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.254 5.473 -9.345 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -8.013 5.852 -6.992 1.00 0.00 C ATOM 0 H LEU A 65 -10.753 8.907 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.779 7.063 -11.003 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.271 7.943 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.840 7.419 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.197 5.057 -8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.841 4.512 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.587 5.411 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.487 6.243 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.588 4.886 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.267 6.632 -6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.882 6.056 -6.367 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.423 5.245 -11.399 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.380 4.172 -11.636 1.00 0.00 C ATOM 1058 C ALA A 66 -10.674 2.837 -11.824 1.00 0.00 C ATOM 1059 O ALA A 66 -9.683 2.736 -12.543 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.254 4.470 -12.846 1.00 0.00 C ATOM 0 H ALA A 66 -9.592 5.215 -11.990 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.018 4.108 -10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.958 3.651 -12.997 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.805 5.395 -12.678 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.626 4.577 -13.731 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.201 1.815 -11.162 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.656 0.475 -11.266 1.00 0.00 C ATOM 1068 C LYS A 67 -11.386 -0.243 -12.382 1.00 0.00 C ATOM 1069 O LYS A 67 -12.535 -0.654 -12.220 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.820 -0.275 -9.937 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.506 -1.768 -10.020 1.00 0.00 C ATOM 1072 CD LYS A 67 -10.319 -2.413 -8.646 1.00 0.00 C ATOM 1073 CE LYS A 67 -11.642 -2.775 -7.972 1.00 0.00 C ATOM 1074 NZ LYS A 67 -12.500 -3.629 -8.839 1.00 0.00 N ATOM 0 H LYS A 67 -12.010 1.893 -10.545 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.590 0.518 -11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.168 0.181 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.844 -0.149 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.314 -2.275 -10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.601 -1.912 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.713 -3.313 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.764 -1.730 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.440 -3.297 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.180 -1.862 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.258 -3.051 -9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.923 -4.043 -9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.920 -4.391 -8.269 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.726 -0.379 -13.515 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.331 -1.020 -14.663 1.00 0.00 C ATOM 1090 C VAL A 68 -11.232 -2.538 -14.564 1.00 0.00 C ATOM 1091 O VAL A 68 -12.032 -3.264 -15.157 1.00 0.00 O ATOM 1092 CB VAL A 68 -10.704 -0.496 -15.975 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -9.540 -1.363 -16.439 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -11.763 -0.363 -17.057 1.00 0.00 C ATOM 0 H VAL A 68 -9.771 -0.054 -13.664 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.391 -0.765 -14.674 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.295 0.494 -15.773 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.130 -0.957 -17.364 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.765 -1.372 -15.672 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.891 -2.380 -16.613 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.303 0.007 -17.973 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -12.215 -1.337 -17.246 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.532 0.336 -16.729 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.251 -3.017 -13.805 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.067 -4.456 -13.643 1.00 0.00 C ATOM 1106 C LEU A 69 -9.715 -4.798 -12.200 1.00 0.00 C ATOM 1107 O LEU A 69 -8.838 -4.173 -11.610 1.00 0.00 O ATOM 1108 CB LEU A 69 -8.962 -4.964 -14.577 1.00 0.00 C ATOM 1109 CG LEU A 69 -8.787 -6.486 -14.650 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -9.979 -7.136 -15.337 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -7.497 -6.840 -15.374 1.00 0.00 C ATOM 0 H LEU A 69 -9.580 -2.440 -13.299 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.006 -4.945 -13.901 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.165 -4.593 -15.582 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.016 -4.525 -14.260 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.730 -6.871 -13.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.832 -8.215 -15.377 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.887 -6.914 -14.777 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.073 -6.745 -16.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.389 -7.924 -15.416 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.526 -6.438 -16.387 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.650 -6.412 -14.838 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.395 -5.797 -11.613 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.464 -6.551 -12.271 1.00 0.00 C ATOM 1125 C PRO A 70 -12.809 -5.816 -12.233 1.00 0.00 C ATOM 1126 O PRO A 70 -13.059 -5.024 -11.324 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.547 -7.853 -11.451 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.456 -7.767 -10.426 1.00 0.00 C ATOM 1129 CD PRO A 70 -10.154 -6.306 -10.262 1.00 0.00 C ATOM 0 HA PRO A 70 -11.253 -6.708 -13.329 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.522 -7.953 -10.975 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.414 -8.726 -12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.773 -8.208 -9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.571 -8.314 -10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.804 -5.834 -9.525 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.128 -6.135 -9.937 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.688 -6.060 -13.225 1.00 0.00 N ATOM 1138 CA PRO A 71 -15.019 -5.438 -13.278 1.00 0.00 C ATOM 1139 C PRO A 71 -15.951 -6.004 -12.199 1.00 0.00 C ATOM 1140 O PRO A 71 -15.713 -7.101 -11.692 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.524 -5.809 -14.676 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.813 -7.074 -15.000 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.448 -6.934 -14.387 1.00 0.00 C ATOM 0 HA PRO A 71 -14.986 -4.363 -13.098 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.605 -5.947 -14.685 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.297 -5.028 -15.401 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.340 -7.936 -14.592 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.746 -7.222 -16.078 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.040 -7.899 -14.087 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.737 -6.491 -15.084 1.00 0.00 H new ATOM 1151 N PRO A 72 -17.034 -5.284 -11.828 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.411 -3.967 -12.385 1.00 0.00 C ATOM 1153 C PRO A 72 -16.388 -2.867 -12.102 1.00 0.00 C ATOM 1154 O PRO A 72 -15.631 -2.938 -11.134 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.738 -3.642 -11.683 1.00 0.00 C ATOM 1156 CG PRO A 72 -19.235 -4.952 -11.180 1.00 0.00 C ATOM 1157 CD PRO A 72 -18.004 -5.725 -10.811 1.00 0.00 C ATOM 0 HA PRO A 72 -17.475 -4.010 -13.472 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.590 -2.935 -10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.449 -3.188 -12.373 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -19.890 -4.820 -10.319 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.813 -5.473 -11.943 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.667 -5.493 -9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.173 -6.801 -10.851 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.384 -1.848 -12.959 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.467 -0.722 -12.818 1.00 0.00 C ATOM 1167 C VAL A 73 -15.834 0.120 -11.592 1.00 0.00 C ATOM 1168 O VAL A 73 -16.969 0.581 -11.458 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.499 0.172 -14.079 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.569 1.369 -13.932 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.145 -0.639 -15.318 1.00 0.00 C ATOM 0 H VAL A 73 -17.009 -1.780 -13.762 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.462 -1.125 -12.691 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.513 0.554 -14.195 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.614 1.978 -14.835 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.879 1.967 -13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.548 1.020 -13.781 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.173 0.007 -16.196 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.144 -1.056 -15.206 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.864 -1.449 -15.441 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.864 0.314 -10.703 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.078 1.099 -9.491 1.00 0.00 C ATOM 1183 C ARG A 74 -14.483 2.487 -9.643 1.00 0.00 C ATOM 1184 O ARG A 74 -13.273 2.643 -9.778 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.464 0.379 -8.280 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.416 1.215 -7.006 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.809 1.589 -6.520 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.588 0.417 -6.128 1.00 0.00 N ATOM 1189 CZ ARG A 74 -17.873 0.464 -5.788 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.519 1.624 -5.790 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -18.511 -0.647 -5.445 1.00 0.00 N ATOM 0 H ARG A 74 -13.921 -0.062 -10.799 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.151 1.204 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.036 -0.528 -8.083 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.451 0.067 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.897 0.658 -6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.839 2.122 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.726 2.269 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.335 2.126 -7.309 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.120 -0.489 -6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.030 2.480 -6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.504 1.659 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.016 -1.539 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.496 -0.609 -5.184 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.341 3.495 -9.610 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.887 4.865 -9.745 1.00 0.00 C ATOM 1207 C ARG A 75 -14.791 5.528 -8.381 1.00 0.00 C ATOM 1208 O ARG A 75 -15.757 5.562 -7.617 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.825 5.660 -10.647 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.807 5.199 -12.095 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.642 6.107 -12.981 1.00 0.00 C ATOM 1212 NE ARG A 75 -18.074 5.990 -12.703 1.00 0.00 N ATOM 1213 CZ ARG A 75 -18.805 6.948 -12.135 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.249 8.104 -11.792 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.098 6.749 -11.913 1.00 0.00 N ATOM 0 H ARG A 75 -16.349 3.389 -9.492 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.897 4.851 -10.202 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.841 5.581 -10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.550 6.714 -10.606 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.780 5.180 -12.459 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.187 4.179 -12.158 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.329 7.141 -12.835 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.456 5.862 -14.027 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.542 5.121 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.256 8.263 -11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.815 8.833 -11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.530 5.864 -12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.659 7.481 -11.478 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.616 6.054 -8.089 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.366 6.723 -6.822 1.00 0.00 C ATOM 1231 C ILE A 76 -13.240 8.230 -7.047 1.00 0.00 C ATOM 1232 O ILE A 76 -12.341 8.690 -7.755 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.084 6.186 -6.156 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.197 4.672 -5.964 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.836 6.875 -4.815 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -10.944 4.040 -5.423 1.00 0.00 C ATOM 0 H ILE A 76 -12.812 6.031 -8.717 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.207 6.522 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.237 6.403 -6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.023 4.461 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.444 4.210 -6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.926 6.479 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.726 7.948 -4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.680 6.691 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.096 2.966 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.119 4.220 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.707 4.475 -4.452 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.148 8.996 -6.448 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.140 10.447 -6.597 1.00 0.00 C ATOM 1250 C ILE A 77 -13.972 11.131 -5.243 1.00 0.00 C ATOM 1251 O ILE A 77 -14.718 10.856 -4.303 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.435 10.956 -7.273 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.693 10.198 -8.577 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.349 12.454 -7.543 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -16.862 9.242 -8.499 1.00 0.00 C ATOM 0 H ILE A 77 -14.897 8.636 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.293 10.699 -7.236 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.267 10.774 -6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.875 10.917 -9.376 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -14.796 9.641 -8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.270 12.791 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.211 12.986 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.505 12.657 -8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -16.986 8.740 -9.458 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.674 8.500 -7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.770 9.796 -8.259 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.985 12.014 -5.149 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.733 12.721 -3.908 1.00 0.00 C ATOM 1269 C GLY A 78 -11.405 13.447 -3.934 1.00 0.00 C ATOM 1270 O GLY A 78 -10.831 13.655 -5.004 1.00 0.00 O ATOM 0 H GLY A 78 -12.353 12.253 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.535 13.437 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.745 12.014 -3.078 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.913 13.833 -2.762 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.635 14.530 -2.671 1.00 0.00 C ATOM 1276 C ASP A 79 -8.500 13.513 -2.705 1.00 0.00 C ATOM 1277 O ASP A 79 -8.169 12.905 -1.689 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.570 15.354 -1.380 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.303 16.174 -1.279 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -8.133 17.102 -2.097 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.482 15.892 -0.381 1.00 0.00 O ATOM 0 H ASP A 79 -11.376 13.676 -1.867 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.535 15.209 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.433 16.018 -1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.635 14.685 -0.522 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.903 13.340 -3.880 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.829 12.365 -4.052 1.00 0.00 C ATOM 1288 C LEU A 80 -5.453 12.932 -3.706 1.00 0.00 C ATOM 1289 O LEU A 80 -4.469 12.194 -3.689 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.815 11.834 -5.490 1.00 0.00 C ATOM 1291 CG LEU A 80 -8.082 11.097 -5.933 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.991 10.733 -7.407 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.298 9.848 -5.089 1.00 0.00 C ATOM 0 H LEU A 80 -8.143 13.859 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.034 11.552 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.648 12.672 -6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.966 11.160 -5.602 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.936 11.759 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.898 10.209 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.881 11.641 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.128 10.087 -7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.203 9.338 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.444 9.180 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.402 10.130 -4.041 1.00 0.00 H new ATOM 1305 N SER A 81 -5.372 14.235 -3.456 1.00 0.00 N ATOM 1306 CA SER A 81 -4.096 14.853 -3.093 1.00 0.00 C ATOM 1307 C SER A 81 -3.646 14.374 -1.714 1.00 0.00 C ATOM 1308 O SER A 81 -2.474 14.479 -1.353 1.00 0.00 O ATOM 1309 CB SER A 81 -4.203 16.381 -3.126 1.00 0.00 C ATOM 1310 OG SER A 81 -5.140 16.851 -2.173 1.00 0.00 O ATOM 0 H SER A 81 -6.162 14.879 -3.496 1.00 0.00 H new ATOM 0 HA SER A 81 -3.347 14.551 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.226 16.821 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.501 16.706 -4.123 1.00 0.00 H new ATOM 0 HG SER A 81 -6.042 16.811 -2.554 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.600 13.862 -0.949 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.332 13.332 0.377 1.00 0.00 C ATOM 1318 C ASN A 82 -3.872 11.881 0.252 1.00 0.00 C ATOM 1319 O ASN A 82 -4.624 11.023 -0.215 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.585 13.435 1.243 1.00 0.00 C ATOM 1321 CG ASN A 82 -5.381 12.896 2.643 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -5.731 11.755 2.937 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -4.813 13.716 3.518 1.00 0.00 N ATOM 0 H ASN A 82 -5.579 13.803 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.543 13.912 0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.894 14.479 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.397 12.889 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.652 13.407 4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.538 14.656 3.232 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.632 11.617 0.666 1.00 0.00 N ATOM 1331 CA ARG A 83 -2.059 10.275 0.555 1.00 0.00 C ATOM 1332 C ARG A 83 -2.860 9.241 1.345 1.00 0.00 C ATOM 1333 O ARG A 83 -2.997 8.101 0.901 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.589 10.263 0.984 1.00 0.00 C ATOM 1335 CG ARG A 83 0.340 10.986 0.021 1.00 0.00 C ATOM 1336 CD ARG A 83 1.801 10.740 0.364 1.00 0.00 C ATOM 1337 NE ARG A 83 2.164 11.304 1.664 1.00 0.00 N ATOM 1338 CZ ARG A 83 2.587 12.554 1.840 1.00 0.00 C ATOM 1339 NH1 ARG A 83 2.699 13.373 0.801 1.00 0.00 N ATOM 1340 NH2 ARG A 83 2.895 12.985 3.056 1.00 0.00 N ATOM 0 H ARG A 83 -2.008 12.310 1.079 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.112 9.995 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.504 10.722 1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.259 9.229 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.143 10.650 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.134 12.056 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.996 9.668 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.433 11.177 -0.409 1.00 0.00 H new ATOM 0 HE ARG A 83 2.088 10.703 2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.461 13.045 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.023 14.330 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.808 12.359 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.219 13.943 3.191 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.380 9.623 2.508 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.173 8.702 3.318 1.00 0.00 C ATOM 1356 C GLU A 84 -5.411 8.204 2.576 1.00 0.00 C ATOM 1357 O GLU A 84 -5.688 7.010 2.606 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.597 9.349 4.640 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.465 9.500 5.645 1.00 0.00 C ATOM 1360 CD GLU A 84 -2.697 10.804 5.507 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -2.908 11.522 4.506 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -1.884 11.106 6.404 1.00 0.00 O ATOM 0 H GLU A 84 -3.269 10.555 2.908 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.531 7.846 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.019 10.332 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.390 8.750 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.874 9.434 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.773 8.666 5.527 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.145 9.088 1.900 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.335 8.644 1.169 1.00 0.00 C ATOM 1371 C LYS A 85 -6.962 7.687 0.044 1.00 0.00 C ATOM 1372 O LYS A 85 -7.648 6.687 -0.170 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.147 9.811 0.604 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.886 10.635 1.640 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.687 11.742 0.967 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.365 12.643 1.988 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.345 11.897 2.825 1.00 0.00 N ATOM 0 H LYS A 85 -5.947 10.087 1.842 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.961 8.123 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.476 10.467 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.871 9.419 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.553 9.993 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.175 11.068 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.027 12.338 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.440 11.301 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.610 13.096 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.874 13.457 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.881 12.567 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.001 11.375 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.839 11.227 3.439 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.883 7.984 -0.669 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.432 7.111 -1.747 1.00 0.00 C ATOM 1393 C VAL A 86 -5.003 5.753 -1.185 1.00 0.00 C ATOM 1394 O VAL A 86 -5.366 4.708 -1.726 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.281 7.751 -2.559 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.700 6.760 -3.556 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.783 8.994 -3.277 1.00 0.00 C ATOM 0 H VAL A 86 -5.308 8.814 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.270 6.964 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.487 8.035 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.893 7.235 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.311 5.893 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.479 6.440 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.967 9.439 -3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.592 8.721 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.150 9.714 -2.545 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.244 5.775 -0.089 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.777 4.555 0.560 1.00 0.00 C ATOM 1409 C LEU A 87 -4.942 3.756 1.149 1.00 0.00 C ATOM 1410 O LEU A 87 -5.007 2.539 0.982 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.751 4.898 1.642 1.00 0.00 C ATOM 1412 CG LEU A 87 -2.245 3.718 2.467 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -1.530 2.704 1.588 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.331 4.207 3.583 1.00 0.00 C ATOM 0 H LEU A 87 -3.939 6.634 0.369 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.299 3.928 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.896 5.380 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.194 5.629 2.319 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.105 3.221 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.180 1.874 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.218 2.330 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.679 3.180 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.977 3.355 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.478 4.731 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.882 4.886 4.234 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.853 4.438 1.839 1.00 0.00 N ATOM 1427 CA ILE A 88 -7.011 3.776 2.434 1.00 0.00 C ATOM 1428 C ILE A 88 -7.886 3.139 1.353 1.00 0.00 C ATOM 1429 O ILE A 88 -8.294 1.980 1.477 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.835 4.760 3.295 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -7.037 5.121 4.554 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.191 4.167 3.662 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.583 6.311 5.309 1.00 0.00 C ATOM 0 H ILE A 88 -5.812 5.444 1.999 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.644 2.985 3.088 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.023 5.665 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.019 4.258 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.005 5.326 4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.749 4.881 4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.750 3.948 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.045 3.247 4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.963 6.501 6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.575 7.188 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.605 6.103 5.625 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.159 3.895 0.290 1.00 0.00 N ATOM 1446 CA ALA A 89 -8.961 3.391 -0.823 1.00 0.00 C ATOM 1447 C ALA A 89 -8.258 2.220 -1.504 1.00 0.00 C ATOM 1448 O ALA A 89 -8.895 1.233 -1.872 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.251 4.500 -1.821 1.00 0.00 C ATOM 0 H ALA A 89 -7.837 4.856 0.177 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.912 3.034 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.849 4.104 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.800 5.301 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.312 4.892 -2.212 1.00 0.00 H new ATOM 1455 N LEU A 90 -6.938 2.335 -1.650 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.130 1.291 -2.277 1.00 0.00 C ATOM 1457 C LEU A 90 -6.143 0.018 -1.430 1.00 0.00 C ATOM 1458 O LEU A 90 -6.256 -1.088 -1.962 1.00 0.00 O ATOM 1459 CB LEU A 90 -4.687 1.782 -2.481 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.095 1.520 -3.863 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -3.914 0.029 -4.089 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -4.969 2.135 -4.942 1.00 0.00 C ATOM 0 H LEU A 90 -6.404 3.147 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.562 1.061 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.656 2.854 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.050 1.306 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.113 1.991 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.491 -0.140 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.241 -0.374 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.881 -0.470 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.531 1.938 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.966 1.697 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.038 3.211 -4.785 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.029 0.181 -0.112 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.038 -0.950 0.814 1.00 0.00 C ATOM 1476 C ARG A 91 -7.367 -1.699 0.751 1.00 0.00 C ATOM 1477 O ARG A 91 -7.391 -2.931 0.690 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.780 -0.459 2.244 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.727 -1.574 3.277 1.00 0.00 C ATOM 1480 CD ARG A 91 -5.418 -1.035 4.664 1.00 0.00 C ATOM 1481 NE ARG A 91 -5.398 -2.094 5.669 1.00 0.00 N ATOM 1482 CZ ARG A 91 -5.143 -1.886 6.958 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -4.882 -0.660 7.394 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -5.151 -2.904 7.809 1.00 0.00 N ATOM 0 H ARG A 91 -5.929 1.090 0.339 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.245 -1.638 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.838 0.088 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.564 0.245 2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.681 -2.101 3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.967 -2.301 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.452 -0.530 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.164 -0.289 4.938 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.591 -3.048 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.877 0.123 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.687 -0.501 8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.353 -3.846 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.955 -2.744 8.797 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.470 -0.951 0.764 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.801 -1.550 0.705 1.00 0.00 C ATOM 1500 C LEU A 92 -10.018 -2.286 -0.616 1.00 0.00 C ATOM 1501 O LEU A 92 -10.614 -3.366 -0.642 1.00 0.00 O ATOM 1502 CB LEU A 92 -10.880 -0.479 0.895 1.00 0.00 C ATOM 1503 CG LEU A 92 -10.964 0.117 2.303 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -11.899 1.315 2.318 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -11.428 -0.933 3.302 1.00 0.00 C ATOM 0 H LEU A 92 -8.467 0.068 0.815 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.876 -2.276 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.697 0.328 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.848 -0.912 0.642 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.968 0.452 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.947 1.726 3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.526 2.076 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.896 1.003 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.481 -0.490 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.414 -1.299 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.722 -1.763 3.312 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.535 -1.699 -1.709 1.00 0.00 N ATOM 1518 CA LEU A 93 -9.670 -2.313 -3.029 1.00 0.00 C ATOM 1519 C LEU A 93 -8.874 -3.617 -3.114 1.00 0.00 C ATOM 1520 O LEU A 93 -9.339 -4.602 -3.688 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.199 -1.353 -4.121 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.091 -0.136 -4.361 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.415 0.829 -5.323 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.451 -0.562 -4.896 1.00 0.00 C ATOM 0 H LEU A 93 -9.048 -0.803 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.726 -2.538 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.199 -1.003 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.113 -1.908 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.246 0.373 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.060 1.692 -5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.467 1.160 -4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.233 0.327 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.070 0.320 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.321 -1.094 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.937 -1.217 -4.173 1.00 0.00 H new ATOM 1536 N ALA A 94 -7.668 -3.609 -2.543 1.00 0.00 N ATOM 1537 CA ALA A 94 -6.804 -4.788 -2.550 1.00 0.00 C ATOM 1538 C ALA A 94 -7.415 -5.936 -1.759 1.00 0.00 C ATOM 1539 O ALA A 94 -7.299 -7.098 -2.153 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.421 -4.450 -2.023 1.00 0.00 C ATOM 0 H ALA A 94 -7.269 -2.798 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.707 -5.115 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.797 -5.344 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.970 -3.682 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.501 -4.081 -1.000 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.058 -5.611 -0.639 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.693 -6.622 0.200 1.00 0.00 C ATOM 1548 C GLU A 95 -9.796 -7.336 -0.574 1.00 0.00 C ATOM 1549 O GLU A 95 -10.006 -8.540 -0.408 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.263 -5.980 1.467 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.196 -5.515 2.448 1.00 0.00 C ATOM 1552 CD GLU A 95 -8.767 -4.705 3.596 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -9.921 -4.238 3.482 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.061 -4.539 4.612 1.00 0.00 O ATOM 0 H GLU A 95 -8.152 -4.656 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.941 -7.356 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.882 -5.128 1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.915 -6.697 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.672 -6.384 2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.458 -4.914 1.917 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.497 -6.578 -1.412 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.570 -7.123 -2.238 1.00 0.00 C ATOM 1563 C GLU A 96 -11.020 -8.189 -3.182 1.00 0.00 C ATOM 1564 O GLU A 96 -11.647 -9.225 -3.404 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.218 -5.998 -3.052 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.039 -5.032 -2.210 1.00 0.00 C ATOM 1567 CD GLU A 96 -13.515 -3.825 -2.995 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -12.990 -3.591 -4.104 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.414 -3.115 -2.501 1.00 0.00 O ATOM 0 H GLU A 96 -10.340 -5.578 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.318 -7.578 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.438 -5.441 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.860 -6.437 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.902 -5.557 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.440 -4.696 -1.364 1.00 0.00 H new ATOM 1576 N ILE A 97 -9.839 -7.916 -3.727 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.169 -8.833 -4.643 1.00 0.00 C ATOM 1578 C ILE A 97 -8.731 -10.101 -3.910 1.00 0.00 C ATOM 1579 O ILE A 97 -8.893 -11.209 -4.416 1.00 0.00 O ATOM 1580 CB ILE A 97 -7.946 -8.151 -5.280 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.410 -6.950 -6.086 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.172 -9.121 -6.170 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.284 -6.044 -6.482 1.00 0.00 C ATOM 0 H ILE A 97 -9.321 -7.056 -3.547 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.874 -9.107 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.273 -7.825 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.923 -7.297 -6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.136 -6.385 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.314 -8.609 -6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.827 -9.966 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.822 -9.481 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.677 -5.204 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.785 -5.671 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.569 -6.597 -7.092 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.182 -9.916 -2.709 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.726 -11.037 -1.901 1.00 0.00 C ATOM 1597 C GLY A 98 -8.846 -11.996 -1.541 1.00 0.00 C ATOM 1598 O GLY A 98 -8.628 -13.201 -1.440 1.00 0.00 O ATOM 0 H GLY A 98 -8.044 -9.001 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.951 -11.578 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.270 -10.658 -0.986 1.00 0.00 H new ATOM 1602 N ASP A 99 -10.040 -11.447 -1.326 1.00 0.00 N ATOM 1603 CA ASP A 99 -11.215 -12.246 -0.980 1.00 0.00 C ATOM 1604 C ASP A 99 -11.553 -13.250 -2.083 1.00 0.00 C ATOM 1605 O ASP A 99 -11.923 -14.390 -1.804 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.418 -11.338 -0.720 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.634 -12.107 -0.241 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.578 -12.671 0.872 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.645 -12.139 -0.974 1.00 0.00 O ATOM 0 H ASP A 99 -10.220 -10.445 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.980 -12.803 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -12.149 -10.589 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.669 -10.802 -1.635 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.433 -12.819 -3.335 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.733 -13.686 -4.468 1.00 0.00 C ATOM 1616 C TYR A 100 -10.473 -14.393 -4.958 1.00 0.00 C ATOM 1617 O TYR A 100 -9.605 -13.784 -5.579 1.00 0.00 O ATOM 1618 CB TYR A 100 -12.351 -12.875 -5.611 1.00 0.00 C ATOM 1619 CG TYR A 100 -13.710 -12.296 -5.285 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -13.837 -11.015 -4.763 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -14.869 -13.032 -5.501 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -15.077 -10.484 -4.463 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -16.114 -12.507 -5.204 1.00 0.00 C ATOM 1624 CZ TYR A 100 -16.211 -11.234 -4.686 1.00 0.00 C ATOM 1625 OH TYR A 100 -17.448 -10.710 -4.388 1.00 0.00 O ATOM 0 H TYR A 100 -11.131 -11.878 -3.589 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.449 -14.439 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -11.674 -12.062 -5.874 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.440 -13.513 -6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.951 -10.423 -4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.797 -14.030 -5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.157 -9.487 -4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -17.005 -13.092 -5.377 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.142 -11.367 -4.605 1.00 0.00 H new ATOM 1635 N LYS A 101 -10.390 -15.688 -4.690 1.00 0.00 N ATOM 1636 CA LYS A 101 -9.237 -16.481 -5.101 1.00 0.00 C ATOM 1637 C LYS A 101 -9.622 -17.478 -6.188 1.00 0.00 C ATOM 1638 O LYS A 101 -10.710 -18.055 -6.157 1.00 0.00 O ATOM 1639 CB LYS A 101 -8.643 -17.223 -3.901 1.00 0.00 C ATOM 1640 CG LYS A 101 -8.099 -16.300 -2.819 1.00 0.00 C ATOM 1641 CD LYS A 101 -7.642 -17.076 -1.592 1.00 0.00 C ATOM 1642 CE LYS A 101 -6.404 -17.910 -1.885 1.00 0.00 C ATOM 1643 NZ LYS A 101 -5.909 -18.616 -0.670 1.00 0.00 N ATOM 0 H LYS A 101 -11.107 -16.214 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.487 -15.800 -5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.409 -17.865 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.841 -17.874 -4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.263 -15.725 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.869 -15.584 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.429 -16.381 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.447 -17.727 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.634 -18.640 -2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.617 -17.266 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.065 -19.173 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.666 -17.918 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.651 -19.250 -0.311 1.00 0.00 H new ATOM 1657 N ASP A 102 -8.724 -17.678 -7.147 1.00 0.00 N ATOM 1658 CA ASP A 102 -8.963 -18.612 -8.243 1.00 0.00 C ATOM 1659 C ASP A 102 -7.645 -19.173 -8.769 1.00 0.00 C ATOM 1660 O ASP A 102 -6.569 -18.739 -8.357 1.00 0.00 O ATOM 1661 CB ASP A 102 -9.753 -17.940 -9.382 1.00 0.00 C ATOM 1662 CG ASP A 102 -9.034 -16.763 -10.032 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -7.956 -16.360 -9.544 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -9.554 -16.246 -11.043 1.00 0.00 O ATOM 0 H ASP A 102 -7.821 -17.205 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.562 -19.436 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.971 -18.685 -10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.710 -17.595 -8.991 1.00 0.00 H new ATOM 1669 N ASP A 103 -7.731 -20.143 -9.673 1.00 0.00 N ATOM 1670 CA ASP A 103 -6.535 -20.749 -10.250 1.00 0.00 C ATOM 1671 C ASP A 103 -6.278 -20.187 -11.644 1.00 0.00 C ATOM 1672 O ASP A 103 -6.932 -20.581 -12.609 1.00 0.00 O ATOM 1673 CB ASP A 103 -6.685 -22.274 -10.317 1.00 0.00 C ATOM 1674 CG ASP A 103 -5.424 -22.972 -10.798 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -4.387 -22.292 -10.970 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -5.474 -24.203 -11.000 1.00 0.00 O ATOM 0 H ASP A 103 -8.610 -20.525 -10.021 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.685 -20.510 -9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.949 -22.652 -9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.510 -22.524 -10.985 1.00 0.00 H new ATOM 1681 N ASP A 104 -5.328 -19.265 -11.744 1.00 0.00 N ATOM 1682 CA ASP A 104 -4.984 -18.658 -13.029 1.00 0.00 C ATOM 1683 C ASP A 104 -3.675 -19.222 -13.576 1.00 0.00 C ATOM 1684 O ASP A 104 -3.096 -18.672 -14.513 1.00 0.00 O ATOM 1685 CB ASP A 104 -4.899 -17.126 -12.917 1.00 0.00 C ATOM 1686 CG ASP A 104 -3.829 -16.633 -11.955 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -3.274 -17.455 -11.192 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -3.546 -15.415 -11.964 1.00 0.00 O ATOM 0 H ASP A 104 -4.782 -18.920 -10.954 1.00 0.00 H new ATOM 0 HA ASP A 104 -5.782 -18.907 -13.728 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -4.703 -16.710 -13.905 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -5.867 -16.741 -12.595 1.00 0.00 H new ATOM 1693 N ASP A 105 -3.212 -20.319 -12.986 1.00 0.00 N ATOM 1694 CA ASP A 105 -1.970 -20.953 -13.418 1.00 0.00 C ATOM 1695 C ASP A 105 -2.246 -21.976 -14.515 1.00 0.00 C ATOM 1696 O ASP A 105 -2.730 -23.074 -14.246 1.00 0.00 O ATOM 1697 CB ASP A 105 -1.276 -21.631 -12.233 1.00 0.00 C ATOM 1698 CG ASP A 105 0.085 -22.195 -12.595 1.00 0.00 C ATOM 1699 OD1 ASP A 105 0.666 -21.749 -13.608 1.00 0.00 O ATOM 1700 OD2 ASP A 105 0.572 -23.081 -11.862 1.00 0.00 O ATOM 0 H ASP A 105 -3.677 -20.788 -12.208 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.312 -20.181 -13.816 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.162 -20.910 -11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -1.910 -22.435 -11.858 1.00 0.00 H new ATOM 1705 N LYS A 106 -1.933 -21.610 -15.752 1.00 0.00 N ATOM 1706 CA LYS A 106 -2.149 -22.499 -16.888 1.00 0.00 C ATOM 1707 C LYS A 106 -0.819 -23.018 -17.427 1.00 0.00 C ATOM 1708 O LYS A 106 0.104 -22.195 -17.608 1.00 0.00 O ATOM 1709 CB LYS A 106 -2.917 -21.771 -17.996 1.00 0.00 C ATOM 1710 CG LYS A 106 -3.817 -22.679 -18.822 1.00 0.00 C ATOM 1711 CD LYS A 106 -4.989 -23.200 -18.005 1.00 0.00 C ATOM 1712 CE LYS A 106 -6.161 -23.583 -18.895 1.00 0.00 C ATOM 1713 NZ LYS A 106 -5.805 -24.665 -19.852 1.00 0.00 N ATOM 1714 OXT LYS A 106 -0.712 -24.239 -17.665 1.00 0.00 O ATOM 0 H LYS A 106 -1.529 -20.705 -15.994 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.741 -23.349 -16.548 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.524 -20.985 -17.547 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -2.203 -21.283 -18.659 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.191 -22.132 -19.687 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.236 -23.519 -19.203 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.673 -24.067 -17.425 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.305 -22.438 -17.293 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.996 -23.908 -18.275 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.498 -22.706 -19.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.659 -24.977 -20.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.110 -24.307 -20.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.397 -25.468 -19.332 1.00 0.00 H new TER 1728 LYS A 106